SCHEMBL7736040

SCHEMBL7736040

O=C(O)c1cccc(-c2cc(F)c(F)c(F)c2)c1CCF

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.41
ALB P02768 1/20 0.39
DHODH Q02127 5/20 0.38
ACMSD Q8TDX5 1/20 0.38
HMGB1 P09429 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
FOLH1 Q04609 1/20 0.38
SYK P43405 2/20 0.37
HNF4A P41235 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ANPEP P15144 1/20 0.35
RARB P10826 2/20 0.35
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7736702 0.83 CD274 (0.38) CD274ALBDHODHACMSDAKR1C2
SCHEMBL7782407 0.82 CD274 (0.38) CD274ALBDHODHACMSDAKR1C2
SCHEMBL7737092 0.80 CD274 (0.39) CD274ALBDHODHACMSDAKR1C2
SCHEMBL7728334 0.79 CD274 (0.36) CD274ALBDHODHACMSDAKR1C2
SCHEMBL5151025 0.78 ACMSD (0.50) ALBDHODHACMSDAKR1C2AKR1C1
SCHEMBL7736705 0.78 CD274 (0.38) CD274ALBDHODHACMSDAKR1C2
SCHEMBL7730341 0.76 RARB (0.45) SYKRARBRARARARG
SCHEMBL7737258 0.76 CD274 (0.37) CD274ALBDHODHACMSDSYK
SCHEMBL7728663 0.74 LTB4R2 (0.39) CD274DHODHSYKRARBRARA
SCHEMBL7736033 0.73 CD274 (0.37) CD274DHODHSYKRARBRARA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6468606-B1 LOW VISCOSITY, HIGH DIELECTRIC ANISOTROPY, LOW OPTICAL ANISOTROPY, EXCELLENT LOW TEMPERATURE COMPATIBILITY WITH OTHER LIQUID CRYSTALLINE COMPOUNDS; 3,4,5-TRIFLUOROPHENYL-(2-FLUORO-4-(TRANS-4-PROPYLCYCLOHEXYL))BENZOATE CHISSO CORPORATION (JP) 2002-10-22 US disclosed
EP-0808825-B1 PHENYL BENZOATE DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CHISSO CORP (JP) 2001-09-12 EP disclosed
US-5922243-A LOW VISCOSITY, HIGH DIELECTRIC AND LOW OPTICAL ANISOTROPY, EXCELLENT COMPATIBILITY CHISSO CORPORATION (JP) 1999-07-13 US disclosed
EP-0808825-A1 PHENYL BENZOATE DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CHISSO CORPORATION (JP) 1997-11-26 EP disclosed